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PUBCHEM-ZINC06753353

 MMsINC code: MMs03850403
Type: Neutral
Formula: C6H13O8P
SMILES:   P(OCC1OC(CO)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H13O8P/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.34794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.136 g/mol  logS: 1.14056  SlogP: -3.493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110491  Sterimol/B1: 3.17603  Sterimol/B2: 3.31989  Sterimol/B3: 3.45057
  Sterimol/B4: 5.64421  Sterimol/L: 12.2423 
 
 Surface and Volume Properties
  Accessible surface: 424.472  Positive charged surface: 286.123  Negative charged surface: 138.349  Volume: 184.25
  Hydrophobic surface: 136.356  Hydrophilic surface: 288.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03850404
PUBCHEM-ZINC06753353